Re: [Rdkit-discuss] generate atom names?

2012-04-11 Thread Paul Emsley
On 10/04/12 12:01, Greg Landrum wrote: On Tue, Apr 10, 2012 at 11:07 AM, Paul Emsley paul.ems...@bioch.ox.ac.uk wrote: (Just making sure I have not missed anything...) Is there a function that generates unique atom names (using at-setProp(name, name) presumably) for a given molecule? (I

Re: [Rdkit-discuss] generate atom names?

2012-04-10 Thread Greg Landrum
Dear Paul, On Tue, Apr 10, 2012 at 11:07 AM, Paul Emsley paul.ems...@bioch.ox.ac.uk wrote: (Just making sure I have not missed anything...) Is there a function that generates unique atom names (using at-setProp(name, name) presumably) for a given molecule? (I don't see such a thing). There